Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9Y4X5
UPID:
ARI1_HUMAN
Alternative names:
H7-AP2; HHARI; Monocyte protein 6; Protein ariadne-1 homolog; UbcH7-binding protein; UbcM4-interacting protein; Ubiquitin-conjugating enzyme E2-binding protein 1
Alternative UPACC:
Q9Y4X5; B2R6U3; O76026; Q9H3T6; Q9UEN0; Q9UP39
Background:
E3 ubiquitin-protein ligase ARIH1, known by alternative names such as HHARI and UbcH7-binding protein, plays a pivotal role in protein ubiquitination. It functions uniquely by collaborating with cullin-RING ubiquitin ligase complexes, initiating the ubiquitination of their substrates. This process is crucial for protein degradation and regulation. ARIH1's activity is notably enhanced upon binding to neddylated cullin-RING complexes, showcasing its dynamic regulatory capabilities in cellular processes.
Therapeutic significance:
Understanding the role of E3 ubiquitin-protein ligase ARIH1 could open doors to potential therapeutic strategies. Its involvement in protein translation in response to DNA damage, through the ubiquitination of EIF4E2, highlights its significance in cellular stress responses. This intricate mechanism offers a promising avenue for exploring novel drug targets, particularly in diseases where protein homeostasis and stress responses are disrupted.